2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate

C9H20NO2P — CID 90048994

IUPAC2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate
SMILESCC(C)(C)CC(C)(C)OC(=O)NP
InChIInChI=1S/C9H20NO2P/c1-8(2,3)6-9(4,5)12-7(11)10-13/h6,13H2,1-5H3,(H,10,11)
InChIKeyFPYTZNZMVRQPHV-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.72
Rot. Bonds2

About 2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate

2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate (PubChem CID 90048994) has the molecular formula C9H20NO2P and a molecular weight of 205.24 g/mol. Its IUPAC name is 2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate.

Molecular Properties

Compound Name2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate
PubChem CID90048994
Molecular FormulaC9H20NO2P
Molecular Weight205.24 g/mol
Exact Mass205.12
IUPAC Name2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate
SMILESCC(C)(C)CC(C)(C)OC(=O)NP
InChIInChI=1S/C9H20NO2P/c1-8(2,3)6-9(4,5)12-7(11)10-13/h6,13H2,1-5H3,(H,10,11)
InChIKeyFPYTZNZMVRQPHV-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate?
The IUPAC name of 2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate (CID 90048994) is 2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate.
What is the SMILES notation for 2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate?
The canonical SMILES for 2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate is CC(C)(C)CC(C)(C)OC(=O)NP.
What is the InChIKey of 2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate?
The InChIKey is FPYTZNZMVRQPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2P/c1-8(2,3)6-9(4,5)12-7(11)10-13/h6,13H2,1-5H3,(H,10,11).
What are the key properties of 2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate?
2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate has a molecular weight of 205.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate is sourced from PubChem (CID 90048994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).